(3-methoxypropyl)dimethylamine

• ChemBase ID: 81439
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(CCCOC)(C)C
• Canonical SMILES: COCCCN(C)C
• InChI: InChI=1S/C6H15NO/c1-7(2)5-4-6-8-3/h4-6H2,1-3H3
• InChIKey: VIVLBCLZNBHPGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypropyl)dimethylamine
• IUPAC Traditional name: (3-methoxypropyl)dimethylamine
• Synonyms: N1,N1-dimethyl-3-methoxypropan-1-amine

Database IDs

• MDL Number: MFCD00278255
• PubChem SID: 162068558
• PubChem CID: 547431

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.1679974
• LogD (pH = 7.4): -1.842775
• Log P: 0.2031537
• Molar Refractivity: 35.897 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true